| SpectraBase Compound ID | 15Hfykf7Umq |
|---|---|
| InChI | InChI=1S/C11H16O4/c1-5-14-10(12)8(3)7-9(4)11(13)15-6-2/h3-7H2,1-2H3 |
| InChIKey | BYCVSRVVXMDHEW-UHFFFAOYSA-N |
| Mol Weight | 212.24 g/mol |
| Molecular Formula | C11H16O4 |
| Exact Mass | 212.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CrC400Mns7I |
|---|---|
| Name | 2,4-di(Ethoxycarbonyl)-1,4-pentdiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.104858991 u |
| Formula | C11H16O4 |
| InChI | InChI=1S/C11H16O4/c1-5-14-10(12)8(3)7-9(4)11(13)15-6-2/h3-7H2,1-2H3 |
| InChIKey | BYCVSRVVXMDHEW-UHFFFAOYSA-N |
| Molecular Weight | 212.245 g/mol |
| SMILES | C(C(=O)OCC)(CC(C(=O)OCC)=C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920446 |